ChemSpider 2D Image | 10-Carboxy-13-deoxycarminomycin | C27H29NO11

10-Carboxy-13-deoxycarminomycin

  • Molecular FormulaC27H29NO11
  • Average mass543.519 Da
  • Monoisotopic mass543.174072 Da
  • ChemSpider ID112601

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2R,4S)-4-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylic acid [ACD/IUPAC Name]
(1R,2R,4S)-4-[(3-Amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracencarbonsäure [German] [ACD/IUPAC Name]
10-Carboxy-13-deoxycarminomycin
1-Naphthacenecarboxylic acid, 4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-6,11-dioxo-, (1R,2R,4S)- [ACD/Index Name]
97583-07-8 [RN]
Acide (1R,2R,4S)-4-[(3-amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranosyl)oxy]-2-éthyl-2,5,7,12-tétrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylique [French] [ACD/IUPAC Name]
(1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid
(1R,2R,4S)-4-[(3-azaniumyl-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
(1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-AMINO-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-2-ETHYL-2,5,7,12-TETRAHYDROXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLIC ACID
(1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-AMINO-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-2-ETHYL-2,5,7,12-TETRAHYDROXY-6,11-DIOXO-3,4-DIHYDRO-1H-TETRACENE-1-CARBOXYLIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C12427 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 745.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 404.6±32.9 °C
Index of Refraction: 1.731
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.75
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 104.2±5.0 dyne/cm
Molar Volume: 328.5±5.0 cm3

Click to predict properties on the Chemicalize site


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